Cas no 35467-41-5 (N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide)

N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide structure
35467-41-5 structure
Product Name:N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide
CAS No:35467-41-5
MF:C34H40N4O4
MW:568.705808639526
CID:1995009
PubChem ID:45273177
Update Time:2025-04-21

N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide Chemical and Physical Properties

Names and Identifiers

    • N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide
    • Scutianin B
    • scutianine B
    • scutianine-B
    • (S)-α-Dimethylamino-N-[(3R,4S,7S)-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14(1),15-tetren-4-yl]benzenepropanamide
    • CHEMBL554100
    • 35467-41-5
    • (2R)-N-((3R,4R,7S,10Z)-7-Benzyl-5,8-dihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),5,8,10,12,15-hexaen-4-yl)-2-(dimethylamino)-3-phenylpropanimidate
    • (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-3-phenylpropanamide
    • (2R)-N-[(3R,4R,7S,10Z)-7-Benzyl-5,8-dihydroxy-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidate
    • (2S)-N-((3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-phenylpropanamide
    • Inchi： 1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)
    • InChI Key： PEINZJYANJZEKK-UHFFFAOYSA-N
    • SMILES： CC(C1C(NC(C(N(C)C)CC2C=CC=CC=2)=O)C(=O)NC(CC2C=CC=CC=2)C(=O)NC=CC2C=CC(=CC=2)O1)C

Computed Properties

  • Exact Mass: 568.305
  • Monoisotopic Mass: 568.305
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 8
  • Complexity: 901
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 99.8A^2
  • XLogP3: 4.097

N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide Related Literature

Related Categories

35467-41-5 (N,N-dimethyl-L-phenylalanine (4S)-7t-benzyl-3t-isopropyl-5,8-dioxo-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide) Related Products

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